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CAS 53890-77-0 3′,4′-Dichloro-(1,1′-biphenyl)-4-ol molecular structure lightbox
CAS RN: 53890-77-0

3′,4′-Dichloro-(1,1′-biphenyl)-4-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS53890-77-0
  • Purity/Analytical Methods: >99.0%
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53890-77-0 / 4-(3,4-dichlorophenyl)phenol

Standard CAS: 53890-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53890-77-0
Multi CAS
No
Molecular Formula
C12H8CL2O
Molecular Weight
239.090000
Exact Mass
237.995220
InChI
InChI=1S/C12H8Cl2O/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1-7,15H
InChIKey
UTTIPSVNOWSCRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.56
TPSA
20.23

LogP / Solubility

WLOGP
4.37
MLOGP
3.85
XLogP3
4.9
Consensus LogP
4.37
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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